CID 67023023

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

Structural Information

Molecular Formula

C₇H₁₃N₃O

SMILES

CC(C)(C)N1C=C(N=N1)CO

InChI

InChI=1S/C7H13N3O/c1-7(2,3)10-4-6(5-11)8-9-10/h4,11H,5H2,1-3H3

InChIKey

KETGYXFSSXEWJZ-UHFFFAOYSA-N

Compound name

(1-tert-butyltriazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 155.10587 Da
Monoisotopic Mass: -0.3
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]+	156.113146	135.1
[M+Na]+	178.095088	144.4
[M-H]-	154.098594	133.9
[M+NH4]+	173.139693	153.7
[M+K]+	194.069028	143.0
[M+H-H2O]+	138.103130	128.4
[M+HCOO]-	200.104071	154.2
[M+CH3COO]-	214.119721	173.8
[M+Na-2H]-	176.080536	141.2
[M]+	155.10532142	135.9
[M]-	155.10641858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe