CID 3532250

2-amino-1-dodecanol

Structural Information

Molecular Formula
C12H27NO
SMILES
CCCCCCCCCCC(CO)N
InChI
InChI=1S/C12H27NO/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h12,14H,2-11,13H2,1H3
InChIKey
VFAALMIZIKQCCB-UHFFFAOYSA-N
Compound name
2-aminododecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

201.20926 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.21654 155.1
[M+Na]+ 224.19848 158.2
[M-H]- 200.20198 152.3
[M+NH4]+ 219.24308 173.1
[M+K]+ 240.17242 156.0
[M+H-H2O]+ 184.20652 149.2
[M+HCOO]- 246.20746 175.0
[M+CH3COO]- 260.22311 189.6
[M+Na-2H]- 222.18393 156.2
[M]+ 201.20871 155.6
[M]- 201.20981 155.6
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.