CID 11217541

94568-76-0

Structural Information

Molecular Formula
C12H17N
SMILES
CC1CC(C2=C1C(=CC=C2)N)(C)C
InChI
InChI=1S/C12H17N/c1-8-7-12(2,3)9-5-4-6-10(13)11(8)9/h4-6,8H,7,13H2,1-3H3
InChIKey
KYWYAWFSWFSPAY-UHFFFAOYSA-N
Compound name
1,1,3-trimethyl-2,3-dihydroinden-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

175.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 138.2
[M+Na]+ 198.125318 147.7
[M-H]- 174.128824 143.0
[M+NH4]+ 193.169923 163.7
[M+K]+ 214.099258 144.2
[M+H-H2O]+ 158.133360 133.7
[M+HCOO]- 220.134301 161.4
[M+CH3COO]- 234.149951 185.2
[M+Na-2H]- 196.110766 143.0
[M]+ 175.13555142 137.0
[M]- 175.13664858 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

No literature data available for this compound.

Patent stripe

patents stripe