CID 116517331

3-methyl-1-(2-phenylcyclopropyl)butan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H21N
SMILES
CC(C)CC(C1CC1C2=CC=CC=C2)N
InChI
InChI=1S/C14H21N/c1-10(2)8-14(15)13-9-12(13)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9,15H2,1-2H3
InChIKey
OXDBOUHXTCSCEK-UHFFFAOYSA-N
Compound name
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 143.7
[M+Na]+ 226.15662 150.6
[M-H]- 202.16012 150.5
[M+NH4]+ 221.20122 157.7
[M+K]+ 242.13056 147.2
[M+H-H2O]+ 186.16466 137.0
[M+HCOO]- 248.16560 165.9
[M+CH3COO]- 262.18125 194.7
[M+Na-2H]- 224.14207 146.6
[M]+ 203.16685 144.2
[M]- 203.16795 144.2
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.