CID 124707366

1450754-37-6

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C#CCCC1(N=N1)CCC(=O)O
InChI
InChI=1S/C8H10N2O2/c1-2-3-5-8(9-10-8)6-4-7(11)12/h1H,3-6H2,(H,11,12)
InChIKey
JRNSKSYASHYNCM-UHFFFAOYSA-N
Compound name
3-(3-but-3-ynyldiazirin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

166.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 135.5
[M+Na]+ 189.06345 150.9
[M-H]- 165.06695 136.7
[M+NH4]+ 184.10805 149.7
[M+K]+ 205.03739 145.1
[M+H-H2O]+ 149.07149 125.8
[M+HCOO]- 211.07243 152.2
[M+CH3COO]- 225.08808 187.6
[M+Na-2H]- 187.04890 142.8
[M]+ 166.07368 136.3
[M]- 166.07478 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe