CID 3015829

5-methoxy-1,3,3-trimethyl-2-methyleneindoline

Structural Information

Molecular Formula
C13H17NO
SMILES
CC1(C(=C)N(C2=C1C=C(C=C2)OC)C)C
InChI
InChI=1S/C13H17NO/c1-9-13(2,3)11-8-10(15-5)6-7-12(11)14(9)4/h6-8H,1H2,2-5H3
InChIKey
BGXWEEHVMWADRH-UHFFFAOYSA-N
Compound name
5-methoxy-1,3,3-trimethyl-2-methylideneindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

203.13101 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 143.6
[M+Na]+ 226.120228 154.8
[M-H]- 202.123734 147.8
[M+NH4]+ 221.164833 167.5
[M+K]+ 242.094168 151.4
[M+H-H2O]+ 186.128270 138.6
[M+HCOO]- 248.129211 165.3
[M+CH3COO]- 262.144861 189.0
[M+Na-2H]- 224.105676 148.0
[M]+ 203.13046142 146.2
[M]- 203.13155858 146.2
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