CID 5478865

1-methylheptylformamide

Structural Information

Molecular Formula
C9H19NO
SMILES
CCCCCC[C@@H](C)NC=O
InChI
InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)/t9-/m1/s1
InChIKey
YWFHDUFNGSJLTL-SECBINFHSA-N
Compound name
N-[(2R)-octan-2-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 139.0
[M+Na]+ 180.13589 144.1
[M-H]- 156.13939 138.7
[M+NH4]+ 175.18049 159.7
[M+K]+ 196.10983 143.4
[M+H-H2O]+ 140.14393 133.6
[M+HCOO]- 202.14487 162.2
[M+CH3COO]- 216.16052 183.0
[M+Na-2H]- 178.12134 143.3
[M]+ 157.14612 140.6
[M]- 157.14722 140.6
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

No patent data available for this compound.