CID 138987631

2052241-40-2

Structural Information

Molecular Formula
C9H14N2O
SMILES
CN(C)C/C=C/C(=O)NCC#C
InChI
InChI=1S/C9H14N2O/c1-4-7-10-9(12)6-5-8-11(2)3/h1,5-6H,7-8H2,2-3H3,(H,10,12)/b6-5+
InChIKey
IDHOTCYSPRIDDZ-AATRIKPKSA-N
Compound name
(E)-4-(dimethylamino)-N-prop-2-ynylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 139.6
[M+Na]+ 189.09983 146.8
[M-H]- 165.10333 140.1
[M+NH4]+ 184.14443 157.9
[M+K]+ 205.07377 145.8
[M+H-H2O]+ 149.10787 127.8
[M+HCOO]- 211.10881 158.7
[M+CH3COO]- 225.12446 194.9
[M+Na-2H]- 187.08528 142.7
[M]+ 166.11006 134.8
[M]- 166.11116 134.8
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.