CID 13163458

1-(benzylamino)butan-2-ol

Structural Information

Molecular Formula
C11H17NO
SMILES
CCC(CNCC1=CC=CC=C1)O
InChI
InChI=1S/C11H17NO/c1-2-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3
InChIKey
XHIGQRPMBZIQLS-UHFFFAOYSA-N
Compound name
1-(benzylamino)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

179.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 141.5
[M+Na]+ 202.120228 146.4
[M-H]- 178.123734 143.2
[M+NH4]+ 197.164833 160.4
[M+K]+ 218.094168 144.0
[M+H-H2O]+ 162.128270 135.3
[M+HCOO]- 224.129211 164.1
[M+CH3COO]- 238.144861 182.4
[M+Na-2H]- 200.105676 147.1
[M]+ 179.13046142 140.2
[M]- 179.13155858 140.2
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