CID 5289037

N-[(2s)-heptan-2-yl]formamide

Structural Information

Molecular Formula
C8H17NO
SMILES
CCCCC[C@H](C)NC=O
InChI
InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m0/s1
InChIKey
GFVRKPKAQHTAQK-QMMMGPOBSA-N
Compound name
N-[(2S)-heptan-2-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

143.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 134.3
[M+Na]+ 166.12023 139.9
[M-H]- 142.12373 134.3
[M+NH4]+ 161.16483 155.7
[M+K]+ 182.09417 139.5
[M+H-H2O]+ 126.12827 129.2
[M+HCOO]- 188.12921 157.9
[M+CH3COO]- 202.14486 179.9
[M+Na-2H]- 164.10568 139.3
[M]+ 143.13046 135.6
[M]- 143.13156 135.6
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