CID 15713440

Tert-butyl n-{[(1r,5s,6r)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}carbamate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)NCC1[C@H]2[C@@H]1CNC2
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-9-7-4-12-5-8(7)9/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9?
InChIKey
JXWGBEYMMHSBFU-JVHMLUBASA-N
Compound name
tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

212.15248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 151.8
[M+Na]+ 235.14170 159.5
[M-H]- 211.14520 154.1
[M+NH4]+ 230.18630 166.6
[M+K]+ 251.11564 155.6
[M+H-H2O]+ 195.14974 146.3
[M+HCOO]- 257.15068 169.6
[M+CH3COO]- 271.16633 189.6
[M+Na-2H]- 233.12715 155.5
[M]+ 212.15193 153.3
[M]- 212.15303 153.3
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