CID 3021243

2-(1-pyrrolidinylmethyl)-4,5,6,7-tetrahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CCC2=C(C1)CC(C2=O)CN3CCCC3
InChI
InChI=1S/C14H21NO/c16-14-12(10-15-7-3-4-8-15)9-11-5-1-2-6-13(11)14/h12H,1-10H2
InChIKey
QRLHASFPSNOXFD-UHFFFAOYSA-N
Compound name
2-(pyrrolidin-1-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 153.9
[M+Na]+ 242.15153 158.6
[M-H]- 218.15503 159.0
[M+NH4]+ 237.19613 175.2
[M+K]+ 258.12547 155.3
[M+H-H2O]+ 202.15957 146.9
[M+HCOO]- 264.16051 171.5
[M+CH3COO]- 278.17616 165.2
[M+Na-2H]- 240.13698 152.9
[M]+ 219.16176 148.1
[M]- 219.16286 148.1
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.