CID 8351

1,3,3-trimethyl-2-methyleneindoline

Structural Information

Molecular Formula
C12H15N
SMILES
CC1(C(=C)N(C2=CC=CC=C21)C)C
InChI
InChI=1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3
InChIKey
ZTUKGBOUHWYFGC-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2-methylideneindole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

2336
Patents

173.12045 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 136.5
[M+Na]+ 196.109668 147.3
[M-H]- 172.113174 140.5
[M+NH4]+ 191.154273 161.3
[M+K]+ 212.083608 143.6
[M+H-H2O]+ 156.117710 131.4
[M+HCOO]- 218.118651 158.3
[M+CH3COO]- 232.134301 182.8
[M+Na-2H]- 194.095116 141.9
[M]+ 173.11990142 136.9
[M]- 173.12099858 136.9
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