CID 165830882

Tert-butyln-[(3h-diazirin-3-yl)methyl]carbamate

Structural Information

Molecular Formula
C7H13N3O2
SMILES
CC(C)(C)OC(=O)NCC1N=N1
InChI
InChI=1S/C7H13N3O2/c1-7(2,3)12-6(11)8-4-5-9-10-5/h5H,4H2,1-3H3,(H,8,11)
InChIKey
IGGPLNFSMWTVGR-UHFFFAOYSA-N
Compound name
tert-butyl N-(3H-diazirin-3-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.10805 145.0
[M+Na]+ 194.08999 154.7
[M-H]- 170.09349 147.4
[M+NH4]+ 189.13459 158.1
[M+K]+ 210.06393 152.5
[M+H-H2O]+ 154.09803 137.9
[M+HCOO]- 216.09897 167.0
[M+CH3COO]- 230.11462 183.9
[M+Na-2H]- 192.07544 152.1
[M]+ 171.10022 150.1
[M]- 171.10132 150.1
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.