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

77
Patents

157.08914 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.096416 135.9
[M+Na]+ 180.078358 146.7
[M-H]- 156.081864 139.7
[M+NH4]+ 175.122963 157.5
[M+K]+ 196.052298 140.9
[M+H-H2O]+ 140.086400 124.0
[M+HCOO]- 202.087341 155.6
[M+CH3COO]- 216.102991 148.5
[M+Na-2H]- 178.063806 141.6
[M]+ 157.08859142 130.1
[M]- 157.08968858 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