CID 79884

1-propanol, 3-[methyl(phenylmethyl)amino]-

Structural Information

Molecular Formula
C11H17NO
SMILES
CN(CCCO)CC1=CC=CC=C1
InChI
InChI=1S/C11H17NO/c1-12(8-5-9-13)10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChIKey
YQAUZGVTGQVMPM-UHFFFAOYSA-N
Compound name
3-[benzyl(methyl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

179.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 141.1
[M+Na]+ 202.12023 146.4
[M-H]- 178.12373 144.2
[M+NH4]+ 197.16483 160.7
[M+K]+ 218.09417 145.0
[M+H-H2O]+ 162.12827 134.6
[M+HCOO]- 224.12921 165.2
[M+CH3COO]- 238.14486 185.1
[M+Na-2H]- 200.10568 147.2
[M]+ 179.13046 141.7
[M]- 179.13156 141.7
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