CID 12183188

265987-99-3

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@@H]1N
InChI
InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5-6H,4,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
InChIKey
XDHLWTHTPXBYLH-WDSKDSINSA-N
Compound name
tert-butyl N-[(1S,2S)-2-aminocyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

172.12119 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 136.7
[M+Na]+ 195.110408 144.9
[M-H]- 171.113914 141.2
[M+NH4]+ 190.155013 152.0
[M+K]+ 211.084348 143.0
[M+H-H2O]+ 155.118450 131.4
[M+HCOO]- 217.119391 159.8
[M+CH3COO]- 231.135041 187.2
[M+Na-2H]- 193.095856 141.7
[M]+ 172.12064142 138.8
[M]- 172.12173858 138.8
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

patents stripe