CID 16637

N-isopropylacrylamide

Structural Information

Molecular Formula
C6H11NO
SMILES
CC(C)NC(=O)C=C
InChI
InChI=1S/C6H11NO/c1-4-6(8)7-5(2)3/h4-5H,1H2,2-3H3,(H,7,8)
InChIKey
QNILTEGFHQSKFF-UHFFFAOYSA-N
Compound name
N-propan-2-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1692
References

84957
Patents

113.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 124.1
[M+Na]+ 136.07328 130.7
[M-H]- 112.07678 124.6
[M+NH4]+ 131.11788 146.6
[M+K]+ 152.04722 130.6
[M+H-H2O]+ 96.081320 119.6
[M+HCOO]- 158.08226 147.6
[M+CH3COO]- 172.09791 173.1
[M+Na-2H]- 134.05873 128.9
[M]+ 113.08351 123.2
[M]- 113.08461 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