CID 3033804

105310-41-6

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCCN(CCC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2
InChI
InChI=1S/C17H26N2O/c1-3-10-19(11-4-2)16(20)17(12-15(17)13-18)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13,18H2,1-2H3/t15-,17+/m1/s1
InChIKey
GGRBZIQYFCKSOC-WBVHZDCISA-N
Compound name
cis-(1R,2S)-2-(aminomethyl)-1-phenyl-N,N-dipropylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 164.2
[M+Na]+ 297.193718 170.4
[M-H]- 273.197224 172.0
[M+NH4]+ 292.238323 177.5
[M+K]+ 313.167658 167.8
[M+H-H2O]+ 257.201760 157.4
[M+HCOO]- 319.202701 187.8
[M+CH3COO]- 333.218351 210.5
[M+Na-2H]- 295.179166 167.1
[M]+ 274.20395142 167.8
[M]- 274.20504858 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.