CID 121210430

2098127-29-6

Structural Information

Molecular Formula
C5H12N4
SMILES
C(CN)C1(N=N1)CCN
InChI
InChI=1S/C5H12N4/c6-3-1-5(2-4-7)8-9-5/h1-4,6-7H2
InChIKey
BGYUKASOAZOTPD-UHFFFAOYSA-N
Compound name
2-[3-(2-aminoethyl)diazirin-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.1062 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.113476 130.6
[M+Na]+ 151.095418 140.5
[M-H]- 127.098924 132.1
[M+NH4]+ 146.140023 146.3
[M+K]+ 167.069358 138.0
[M+H-H2O]+ 111.103460 124.3
[M+HCOO]- 173.104401 154.7
[M+CH3COO]- 187.120051 179.0
[M+Na-2H]- 149.080866 139.1
[M]+ 128.10565142 132.1
[M]- 128.10674858 132.1
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.