CID 14805664

(2e)-4-(dimethylamino)but-2-enoic acid hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
CN(C)C/C=C/C(=O)O
InChI
InChI=1S/C6H11NO2/c1-7(2)5-3-4-6(8)9/h3-4H,5H2,1-2H3,(H,8,9)/b4-3+
InChIKey
ITGIYLMMAABTHC-ONEGZZNKSA-N
Compound name
(E)-4-(dimethylamino)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2657
Patents

129.07898 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 127.0
[M+Na]+ 152.06820 133.6
[M-H]- 128.07170 127.5
[M+NH4]+ 147.11280 148.8
[M+K]+ 168.04214 134.0
[M+H-H2O]+ 112.07624 122.2
[M+HCOO]- 174.07718 150.8
[M+CH3COO]- 188.09283 175.1
[M+Na-2H]- 150.05365 131.8
[M]+ 129.07843 127.6
[M]- 129.07953 127.6
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

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