CID 205857

Bs-38

Structural Information

Molecular Formula
C16H24N2O
SMILES
CC(C(C1=CC=CC=C1)O)NCC(C)(C)CCC#N
InChI
InChI=1S/C16H24N2O/c1-13(15(19)14-8-5-4-6-9-14)18-12-16(2,3)10-7-11-17/h4-6,8-9,13,15,18-19H,7,10,12H2,1-3H3
InChIKey
ALGQZJURYHXVIP-UHFFFAOYSA-N
Compound name
5-[(1-hydroxy-1-phenylpropan-2-yl)amino]-4,4-dimethylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 169.6
[M+Na]+ 283.17809 174.9
[M-H]- 259.18159 170.5
[M+NH4]+ 278.22269 183.4
[M+K]+ 299.15203 171.5
[M+H-H2O]+ 243.18613 156.5
[M+HCOO]- 305.18707 184.7
[M+CH3COO]- 319.20272 210.3
[M+Na-2H]- 281.16354 171.3
[M]+ 260.18832 163.8
[M]- 260.18942 163.8
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.