CID 14819368

2-(2,3-dihydro-1h-inden-5-yl)acetonitrile

Structural Information

Molecular Formula
C11H11N
SMILES
C1CC2=C(C1)C=C(C=C2)CC#N
InChI
InChI=1S/C11H11N/c12-7-6-9-4-5-10-2-1-3-11(10)8-9/h4-5,8H,1-3,6H2
InChIKey
FZSXXUAESILITC-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-5-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

157.08914 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 135.9
[M+Na]+ 180.07836 146.7
[M-H]- 156.08186 139.7
[M+NH4]+ 175.12296 157.5
[M+K]+ 196.05230 140.9
[M+H-H2O]+ 140.08640 124.0
[M+HCOO]- 202.08734 155.6
[M+CH3COO]- 216.10299 148.5
[M+Na-2H]- 178.06381 141.6
[M]+ 157.08859 130.1
[M]- 157.08969 130.1
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

patents stripe