CID 46289

P-isopropylbenzylheptylamine sulfate

Structural Information

Molecular Formula
C17H29N
SMILES
CCCCCCCNCC1=CC=C(C=C1)C(C)C
InChI
InChI=1S/C17H29N/c1-4-5-6-7-8-13-18-14-16-9-11-17(12-10-16)15(2)3/h9-12,15,18H,4-8,13-14H2,1-3H3
InChIKey
GAFOYKDJGKDUTD-UHFFFAOYSA-N
Compound name
N-[(4-propan-2-ylphenyl)methyl]heptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.23 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.23728 165.1
[M+Na]+ 270.21922 168.9
[M-H]- 246.22272 167.5
[M+NH4]+ 265.26382 182.4
[M+K]+ 286.19316 165.4
[M+H-H2O]+ 230.22726 157.9
[M+HCOO]- 292.22820 187.0
[M+CH3COO]- 306.24385 202.4
[M+Na-2H]- 268.20467 167.2
[M]+ 247.22945 166.9
[M]- 247.23055 166.9
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.