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]+ 129.11348 130.6
[M+Na]+ 151.09542 140.5
[M-H]- 127.09892 132.1
[M+NH4]+ 146.14002 146.3
[M+K]+ 167.06936 138.0
[M+H-H2O]+ 111.10346 124.3
[M+HCOO]- 173.10440 154.7
[M+CH3COO]- 187.12005 179.0
[M+Na-2H]- 149.08087 139.1
[M]+ 128.10565 132.1
[M]- 128.10675 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.