CID 295550

2,3,7-trimethylindoline

Structural Information

Molecular Formula
C11H15N
SMILES
CC1C(NC2=C(C=CC=C12)C)C
InChI
InChI=1S/C11H15N/c1-7-5-4-6-10-8(2)9(3)12-11(7)10/h4-6,8-9,12H,1-3H3
InChIKey
IUWFIUDNAUTXKR-UHFFFAOYSA-N
Compound name
2,3,7-trimethyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

161.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 135.3
[M+Na]+ 184.109668 144.8
[M-H]- 160.113174 137.7
[M+NH4]+ 179.154273 157.9
[M+K]+ 200.083608 140.9
[M+H-H2O]+ 144.117710 130.0
[M+HCOO]- 206.118651 155.7
[M+CH3COO]- 220.134301 178.5
[M+Na-2H]- 182.095116 139.6
[M]+ 161.11990142 133.9
[M]- 161.12099858 133.9
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