CID 166000112

Tert-butyl n-[4-(3h-diazirin-3-yl)butyl]carbamate

Structural Information

Molecular Formula
C10H19N3O2
SMILES
CC(C)(C)OC(=O)NCCCCC1N=N1
InChI
InChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)11-7-5-4-6-8-12-13-8/h8H,4-7H2,1-3H3,(H,11,14)
InChIKey
BLJSZJVEHAMOIK-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(3H-diazirin-3-yl)butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.14772 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.15500 157.6
[M+Na]+ 236.13694 166.0
[M-H]- 212.14044 159.4
[M+NH4]+ 231.18154 169.1
[M+K]+ 252.11088 163.1
[M+H-H2O]+ 196.14498 149.9
[M+HCOO]- 258.14592 178.7
[M+CH3COO]- 272.16157 192.5
[M+Na-2H]- 234.12239 163.2
[M]+ 213.14717 163.7
[M]- 213.14827 163.7
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.