CID 123297

2-aminotridecane

Structural Information

Molecular Formula
C13H29N
SMILES
CCCCCCCCCCCC(C)N
InChI
InChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13H,3-12,14H2,1-2H3
InChIKey
WCLHZVGJULAEJH-UHFFFAOYSA-N
Compound name
tridecan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

361
Patents

199.23 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.23728 156.2
[M+Na]+ 222.21922 159.4
[M-H]- 198.22272 154.7
[M+NH4]+ 217.26382 175.1
[M+K]+ 238.19316 157.4
[M+H-H2O]+ 182.22726 150.2
[M+HCOO]- 244.22820 177.0
[M+CH3COO]- 258.24385 193.4
[M+Na-2H]- 220.20467 157.3
[M]+ 199.22945 157.6
[M]- 199.23055 157.6
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