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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.10838	135.7
[M+Na]+	179.09032	145.4
[M-H]-	155.09382	133.3
[M+NH4]+	174.13492	152.9
[M+K]+	195.06426	144.1
[M+H-H2O]+	139.09836	128.3
[M+HCOO]-	201.09930	153.8
[M+CH3COO]-	215.11495	173.9
[M+Na-2H]-	177.07577	142.2
[M]+	156.10055	136.6
[M]-	156.10165	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe