CID 594839

1,2,3,3-tetramethylindoline

Structural Information

Molecular Formula
C12H17N
SMILES
CC1C(C2=CC=CC=C2N1C)(C)C
InChI
InChI=1S/C12H17N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-9H,1-4H3
InChIKey
YNMGRZLDRLHRTN-UHFFFAOYSA-N
Compound name
1,2,3,3-tetramethyl-2H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

175.1361 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 137.8
[M+Na]+ 198.125318 148.3
[M-H]- 174.128824 141.8
[M+NH4]+ 193.169923 162.7
[M+K]+ 214.099258 145.2
[M+H-H2O]+ 158.133360 132.7
[M+HCOO]- 220.134301 159.5
[M+CH3COO]- 234.149951 183.7
[M+Na-2H]- 196.110766 143.2
[M]+ 175.13555142 138.9
[M]- 175.13664858 138.9
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