CID 7877

N-tert-butylacrylamide

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(C)(C)NC(=O)C=C
InChI
InChI=1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
InChIKey
XFHJDMUEHUHAJW-UHFFFAOYSA-N
Compound name
N-tert-butylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

44
References

36566
Patents

127.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 127.8
[M+Na]+ 150.08894 134.8
[M-H]- 126.09244 128.5
[M+NH4]+ 145.13354 150.1
[M+K]+ 166.06288 134.4
[M+H-H2O]+ 110.09698 123.9
[M+HCOO]- 172.09792 150.5
[M+CH3COO]- 186.11357 174.8
[M+Na-2H]- 148.07439 134.1
[M]+ 127.09917 127.5
[M]- 127.10027 127.5
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