CID 83698

N-isopropylmethacrylamide

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(C)NC(=O)C(=C)C
InChI
InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9)
InChIKey
YQIGLEFUZMIVHU-UHFFFAOYSA-N
Compound name
2-methyl-N-propan-2-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11939
Patents

127.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 128.9
[M+Na]+ 150.08894 134.9
[M-H]- 126.09244 129.3
[M+NH4]+ 145.13354 150.8
[M+K]+ 166.06288 135.0
[M+H-H2O]+ 110.09698 124.3
[M+HCOO]- 172.09792 151.1
[M+CH3COO]- 186.11357 177.0
[M+Na-2H]- 148.07439 131.9
[M]+ 127.09917 127.7
[M]- 127.10027 127.7
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