CID 11095706

2260504-85-4

Structural Information

Molecular Formula
C13H17NO
SMILES
C1C[C@H](NC1)C2(CC3=CC=CC=C3C2)O
InChI
InChI=1S/C13H17NO/c15-13(12-6-3-7-14-12)8-10-4-1-2-5-11(10)9-13/h1-2,4-5,12,14-15H,3,6-9H2/t12-/m0/s1
InChIKey
APGOZZJUJJGCGF-LBPRGKRZSA-N
Compound name
2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

203.13101 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 147.5
[M+Na]+ 226.12023 153.9
[M-H]- 202.12373 150.9
[M+NH4]+ 221.16483 170.1
[M+K]+ 242.09417 149.2
[M+H-H2O]+ 186.12827 141.5
[M+HCOO]- 248.12921 165.3
[M+CH3COO]- 262.14486 159.2
[M+Na-2H]- 224.10568 150.1
[M]+ 203.13046 141.4
[M]- 203.13156 141.4
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