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

99
Patents

179.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 141.1
[M+Na]+ 202.120228 146.4
[M-H]- 178.123734 144.2
[M+NH4]+ 197.164833 160.7
[M+K]+ 218.094168 145.0
[M+H-H2O]+ 162.128270 134.6
[M+HCOO]- 224.129211 165.2
[M+CH3COO]- 238.144861 185.1
[M+Na-2H]- 200.105676 147.2
[M]+ 179.13046142 141.7
[M]- 179.13155858 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