CID 84647599

Spiro[2.2]pentane-1-carbonitrile

Structural Information

Molecular Formula
C6H7N
SMILES
C1CC12CC2C#N
InChI
InChI=1S/C6H7N/c7-4-5-3-6(5)1-2-6/h5H,1-3H2
InChIKey
BNPPLVMEMALWJN-UHFFFAOYSA-N
Compound name
spiro[2.2]pentane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

93.057846 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.065122 125.7
[M+Na]+ 116.04706 143.9
[M-H]- 92.050570 135.7
[M+NH4]+ 111.09167 141.3
[M+K]+ 132.02100 138.1
[M+H-H2O]+ 76.055106 120.8
[M+HCOO]- 138.05605 146.5
[M+CH3COO]- 152.07170 192.3
[M+Na-2H]- 114.03251 135.4
[M]+ 93.057297 128.0
[M]- 93.058395 128.0
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