CID 594548

2,3,3-trimethyl-3h-indol-5-amine

Structural Information

Molecular Formula
C11H14N2
SMILES
CC1=NC2=C(C1(C)C)C=C(C=C2)N
InChI
InChI=1S/C11H14N2/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,12H2,1-3H3
InChIKey
CPPYFOCHFCYAQQ-UHFFFAOYSA-N
Compound name
2,3,3-trimethylindol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

45
Patents

174.11569 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 136.5
[M+Na]+ 197.10491 147.5
[M-H]- 173.10841 140.4
[M+NH4]+ 192.14951 160.8
[M+K]+ 213.07885 144.0
[M+H-H2O]+ 157.11295 131.1
[M+HCOO]- 219.11389 160.3
[M+CH3COO]- 233.12954 184.4
[M+Na-2H]- 195.09036 142.8
[M]+ 174.11514 137.0
[M]- 174.11624 137.0
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