CID 15145785

6872-10-2

Structural Information

Molecular Formula
C14H17NO2
SMILES
CC1(C(=C)N(C2=C1C=C(C=C2)C(=O)OC)C)C
InChI
InChI=1S/C14H17NO2/c1-9-14(2,3)11-8-10(13(16)17-5)6-7-12(11)15(9)4/h6-8H,1H2,2-5H3
InChIKey
CVHDZBBLDJRKOS-UHFFFAOYSA-N
Compound name
methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

67
Patents

231.12593 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.133206 150.3
[M+Na]+ 254.115148 161.0
[M-H]- 230.118654 154.5
[M+NH4]+ 249.159753 172.9
[M+K]+ 270.089088 157.8
[M+H-H2O]+ 214.123190 145.3
[M+HCOO]- 276.124131 171.0
[M+CH3COO]- 290.139781 193.5
[M+Na-2H]- 252.100596 153.1
[M]+ 231.12538142 153.3
[M]- 231.12647858 153.3
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

patents stripe