CID 165521845

Rac-tert-butyl(1r,2r)-2-(aminomethyl)cyclopropane-1-carboxylatehydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@H]1CN
InChI
InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)7-4-6(7)5-10/h6-7H,4-5,10H2,1-3H3/t6-,7+/m0/s1
InChIKey
HIPSIWAYJFCUKF-NKWVEPMBSA-N
Compound name
tert-butyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 137.9
[M+Na]+ 194.11515 146.5
[M-H]- 170.11865 142.3
[M+NH4]+ 189.15975 153.5
[M+K]+ 210.08909 144.5
[M+H-H2O]+ 154.12319 132.6
[M+HCOO]- 216.12413 159.6
[M+CH3COO]- 230.13978 186.0
[M+Na-2H]- 192.10060 142.1
[M]+ 171.12538 141.1
[M]- 171.12648 141.1
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.