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

literature stripe

Patent stripe

patents stripe