CID 242922

3742-63-0

Structural Information

Molecular Formula
C5H10N2O
SMILES
CC(=NNC(=O)C)C
InChI
InChI=1S/C5H10N2O/c1-4(2)6-7-5(3)8/h1-3H3,(H,7,8)
InChIKey
XLHDGJPPMZUJIM-UHFFFAOYSA-N
Compound name
N-(propan-2-ylideneamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

586
Patents

114.079315 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.086591 123.4
[M+Na]+ 137.068533 130.0
[M-H]- 113.072039 125.5
[M+NH4]+ 132.113138 146.3
[M+K]+ 153.042473 131.1
[M+H-H2O]+ 97.076575 118.3
[M+HCOO]- 159.077516 149.7
[M+CH3COO]- 173.093166 176.9
[M+Na-2H]- 135.053981 129.4
[M]+ 114.07876642 123.2
[M]- 114.07986358 123.2
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