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]+ 129.10224 133.7
[M+Na]+ 151.08418 144.2
[M-H]- 127.08768 134.7
[M+NH4]+ 146.12878 149.8
[M+K]+ 167.05812 142.3
[M+H-H2O]+ 111.09222 127.6
[M+HCOO]- 173.09316 155.3
[M+CH3COO]- 187.10881 173.3
[M+Na-2H]- 149.06963 142.2
[M]+ 128.09441 138.3
[M]- 128.09551 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.