CID 59925

105310-31-4

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1=CC=C(C=C1)[C@]2(C[C@@H]2CN)C(=O)OC(C)C
InChI
InChI=1S/C15H21NO2/c1-10(2)18-14(17)15(8-13(15)9-16)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9,16H2,1-3H3/t13-,15+/m1/s1
InChIKey
MTEPRYDXHGSRPN-HIFRSBDPSA-N
Compound name
propan-2-yl (1R,2S)-2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 155.2
[M+Na]+ 270.14645 163.4
[M-H]- 246.14995 162.5
[M+NH4]+ 265.19105 169.5
[M+K]+ 286.12039 160.9
[M+H-H2O]+ 230.15449 149.5
[M+HCOO]- 292.15543 177.1
[M+CH3COO]- 306.17108 200.7
[M+Na-2H]- 268.13190 157.7
[M]+ 247.15668 158.9
[M]- 247.15778 158.9
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.