CID 61852618

Tert-butyl n-[1-(2h-1,2,3,4-tetrazol-5-yl)ethyl]carbamate

Structural Information

Molecular Formula
C8H15N5O2
SMILES
CC(C1=NNN=N1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H15N5O2/c1-5(6-10-12-13-11-6)9-7(14)15-8(2,3)4/h5H,1-4H3,(H,9,14)(H,10,11,12,13)
InChIKey
SSHHKGHLLSXENO-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(2H-tetrazol-5-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

213.12257 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.129846 150.0
[M+Na]+ 236.111788 156.8
[M-H]- 212.115294 147.4
[M+NH4]+ 231.156393 164.1
[M+K]+ 252.085728 155.9
[M+H-H2O]+ 196.119830 141.8
[M+HCOO]- 258.120771 167.0
[M+CH3COO]- 272.136421 185.1
[M+Na-2H]- 234.097236 154.7
[M]+ 213.12202142 149.8
[M]- 213.12311858 149.8
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