CID 137963993

6-phenyl-2-azaspiro[3.3]heptane-6-carbonitrile hydrochloride

Structural Information

Molecular Formula
C13H14N2
SMILES
C1C2(CC1(C#N)C3=CC=CC=C3)CNC2
InChI
InChI=1S/C13H14N2/c14-8-13(11-4-2-1-3-5-11)6-12(7-13)9-15-10-12/h1-5,15H,6-7,9-10H2
InChIKey
XKSLFLMKPIKNHF-UHFFFAOYSA-N
Compound name
6-phenyl-2-azaspiro[3.3]heptane-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11569 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 136.1
[M+Na]+ 221.10491 143.2
[M-H]- 197.10841 141.0
[M+NH4]+ 216.14951 143.4
[M+K]+ 237.07885 144.5
[M+H-H2O]+ 181.11295 117.3
[M+HCOO]- 243.11389 149.8
[M+CH3COO]- 257.12954 203.6
[M+Na-2H]- 219.09036 143.0
[M]+ 198.11514 143.0
[M]- 198.11624 143.0
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

No patent data available for this compound.