CID 67278374

(2-tert-butyl-2h-1,2,3,4-tetrazol-5-yl)methanol

Structural Information

Molecular Formula
C6H12N4O
SMILES
CC(C)(C)N1N=C(N=N1)CO
InChI
InChI=1S/C6H12N4O/c1-6(2,3)10-8-5(4-11)7-9-10/h11H,4H2,1-3H3
InChIKey
SUUPRICPWFJSLT-UHFFFAOYSA-N
Compound name
(2-tert-butyltetrazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

156.1011 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.108376 135.7
[M+Na]+ 179.090318 145.4
[M-H]- 155.093824 133.3
[M+NH4]+ 174.134923 152.9
[M+K]+ 195.064258 144.1
[M+H-H2O]+ 139.098360 128.3
[M+HCOO]- 201.099301 153.8
[M+CH3COO]- 215.114951 173.9
[M+Na-2H]- 177.075766 142.2
[M]+ 156.10055142 136.6
[M]- 156.10164858 136.6
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