CID 94582

57910-39-1

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CC(C)(C)N=NC(C)(C)O

InChI

InChI=1S/C7H16N2O/c1-6(2,3)8-9-7(4,5)10/h10H,1-5H3

InChIKey

LGKBMXVIXYRWDK-UHFFFAOYSA-N

Compound name

2-(tert-butyldiazenyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 144.12627 Da
Monoisotopic Mass: 1.2
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]+	145.133546	132.2
[M+Na]+	167.115488	139.1
[M-H]-	143.118994	134.4
[M+NH4]+	162.160093	154.3
[M+K]+	183.089428	140.1
[M+H-H2O]+	127.123530	127.9
[M+HCOO]-	189.124471	156.6
[M+CH3COO]-	203.140121	183.0
[M+Na-2H]-	165.100936	141.2
[M]+	144.12572142	133.8
[M]-	144.12681858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe