CID 84033027

2-cyclobutyl-2,3-dihydro-1h-indole hydrochloride

Structural Information

Molecular Formula
C12H15N
SMILES
C1CC(C1)C2CC3=CC=CC=C3N2
InChI
InChI=1S/C12H15N/c1-2-7-11-10(4-1)8-12(13-11)9-5-3-6-9/h1-2,4,7,9,12-13H,3,5-6,8H2
InChIKey
IJRZCIZEFIJDTB-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 133.1
[M+Na]+ 196.10967 138.8
[M-H]- 172.11317 137.6
[M+NH4]+ 191.15427 147.8
[M+K]+ 212.08361 137.8
[M+H-H2O]+ 156.11771 122.0
[M+HCOO]- 218.11865 151.7
[M+CH3COO]- 232.13430 145.4
[M+Na-2H]- 194.09512 138.1
[M]+ 173.11990 137.3
[M]- 173.12100 137.3
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

No patent data available for this compound.