CID 99756

3-((p-dimethylaminobenzylidene)amino)propanol

Structural Information

Molecular Formula
C12H18N2O
SMILES
CN(C)C1=CC=C(C=C1)C=NCCCO
InChI
InChI=1S/C12H18N2O/c1-14(2)12-6-4-11(5-7-12)10-13-8-3-9-15/h4-7,10,15H,3,8-9H2,1-2H3
InChIKey
NJJCIINAJQNSEH-UHFFFAOYSA-N
Compound name
3-[[4-(dimethylamino)phenyl]methylideneamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 147.8
[M+Na]+ 229.13112 153.7
[M-H]- 205.13462 152.6
[M+NH4]+ 224.17572 167.1
[M+K]+ 245.10506 152.2
[M+H-H2O]+ 189.13916 140.8
[M+HCOO]- 251.14010 174.4
[M+CH3COO]- 265.15575 195.2
[M+Na-2H]- 227.11657 153.5
[M]+ 206.14135 149.6
[M]- 206.14245 149.6
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.