CID 165782773

4-(3-methyl-3h-diazirin-3-yl)butan-1-ol

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC1(N=N1)CCCCO
InChI
InChI=1S/C6H12N2O/c1-6(7-8-6)4-2-3-5-9/h9H,2-5H2,1H3
InChIKey
JTWIBPRBYJPHJH-UHFFFAOYSA-N
Compound name
4-(3-methyldiazirin-3-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 133.7
[M+Na]+ 151.084178 144.2
[M-H]- 127.087684 134.7
[M+NH4]+ 146.128783 149.8
[M+K]+ 167.058118 142.3
[M+H-H2O]+ 111.092220 127.6
[M+HCOO]- 173.093161 155.3
[M+CH3COO]- 187.108811 173.3
[M+Na-2H]- 149.069626 142.2
[M]+ 128.09441142 138.3
[M]- 128.09550858 138.3
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

No patent data available for this compound.