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]+ 214.154996 157.6
[M+Na]+ 236.136938 166.0
[M-H]- 212.140444 159.4
[M+NH4]+ 231.181543 169.1
[M+K]+ 252.110878 163.1
[M+H-H2O]+ 196.144980 149.9
[M+HCOO]- 258.145921 178.7
[M+CH3COO]- 272.161571 192.5
[M+Na-2H]- 234.122386 163.2
[M]+ 213.14717142 163.7
[M]- 213.14826858 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.