CID 97975

Dtxsid901243448

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1=CC=C(C=C1)C(CCC#N)OC(C)C
InChI
InChI=1S/C14H19NO/c1-11(2)16-14(5-4-10-15)13-8-6-12(3)7-9-13/h6-9,11,14H,4-5H2,1-3H3
InChIKey
AFVNASUMPFJDPV-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-4-propan-2-yloxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 152.0
[M+Na]+ 240.135888 160.0
[M-H]- 216.139394 154.9
[M+NH4]+ 235.180493 168.8
[M+K]+ 256.109828 157.1
[M+H-H2O]+ 200.143930 139.3
[M+HCOO]- 262.144871 169.9
[M+CH3COO]- 276.160521 203.6
[M+Na-2H]- 238.121336 154.3
[M]+ 217.14612142 149.0
[M]- 217.14721858 149.0
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.