CID 45122726

Alt-946

Structural Information

Molecular Formula
C5H13N5O
SMILES
CC(=O)NCCN=CNNN
InChI
InChI=1S/C5H13N5O/c1-5(11)8-3-2-7-4-9-10-6/h4,10H,2-3,6H2,1H3,(H,7,9)(H,8,11)
InChIKey
CKTNVANQPUCSKP-UHFFFAOYSA-N
Compound name
N-[2-[(2-aminohydrazinyl)methylideneamino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

462
Patents

159.11201 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11929 131.8
[M+Na]+ 182.10123 136.0
[M-H]- 158.10473 133.0
[M+NH4]+ 177.14583 151.2
[M+K]+ 198.07517 136.3
[M+H-H2O]+ 142.10927 124.6
[M+HCOO]- 204.11021 161.3
[M+CH3COO]- 218.12586 191.1
[M+Na-2H]- 180.08668 138.7
[M]+ 159.11146 128.7
[M]- 159.11256 128.7
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.